1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide

C26H31N5O2 — CID 46358506

IUPAC1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C26H31N5O2/c1-18(21-10-6-4-7-11-21)27-25(33)22-14-16-30(17-15-22)26-24(28-20(3)32)19(2)29-31(26)23-12-8-5-9-13-23/h4-13,18,22H,14-17H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyPGJBCSGHPZSZGS-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.23
Rot. Bonds6

About 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide

1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 46358506) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID46358506
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C26H31N5O2/c1-18(21-10-6-4-7-11-21)27-25(33)22-14-16-30(17-15-22)26-24(28-20(3)32)19(2)29-31(26)23-12-8-5-9-13-23/h4-13,18,22H,14-17H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyPGJBCSGHPZSZGS-UHFFFAOYSA-N
XLogP4.23
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92876422
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 46358533
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46358544
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide
CID 22581292
1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 20920230
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 46358721
N-(1-phenylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146134
1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 95069057
1-(4-methylpyrimidin-2-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95082439
1-(2-morpholin-4-ylpyrimidin-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 53146248
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[2-(4-chlorophenyl)ethyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358581

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide (CID 46358506) is 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide is CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is PGJBCSGHPZSZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-18(21-10-6-4-7-11-21)27-25(33)22-14-16-30(17-15-22)26-24(28-20(3)32)19(2)29-31(26)23-12-8-5-9-13-23/h4-13,18,22H,14-17H2,1-3H3,(H,27,33)(H,28,32).
What are the key properties of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide?
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46358506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).